[butanoyl(formyl)amino] 4-(methylamino)butanoate

C10H18N2O4 — CID 155461543

IUPAC[butanoyl(formyl)amino] 4-(methylamino)butanoate
SMILESCCCC(=O)N(C=O)OC(=O)CCCNC
InChIInChI=1S/C10H18N2O4/c1-3-5-9(14)12(8-13)16-10(15)6-4-7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyRKRQAHCQCDEGLJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.23
Rot. Bonds7

About [butanoyl(formyl)amino] 4-(methylamino)butanoate

[butanoyl(formyl)amino] 4-(methylamino)butanoate (PubChem CID 155461543) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is [butanoyl(formyl)amino] 4-(methylamino)butanoate.

Molecular Properties

Compound Name[butanoyl(formyl)amino] 4-(methylamino)butanoate
PubChem CID155461543
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name[butanoyl(formyl)amino] 4-(methylamino)butanoate
SMILESCCCC(=O)N(C=O)OC(=O)CCCNC
InChIInChI=1S/C10H18N2O4/c1-3-5-9(14)12(8-13)16-10(15)6-4-7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyRKRQAHCQCDEGLJ-UHFFFAOYSA-N
XLogP0.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[butanoyl(formyl)amino] heptanoate
CID 142601688
[butanoyl(formyl)amino] 5-methylhexanoate
CID 170597603
[butanoyl(formyl)amino] 7-aminoheptanoate
CID 155691855
[butanoyl(formyl)amino] 2-aminoacetate
CID 142359847
[butanoyl(formyl)amino] hydrogen carbonate
CID 123497102
[butanoyl(formyl)amino] 2-acetylsulfanylacetate
CID 142170109
N-formyl-N-methoxybutanamide
CID 89360816
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
N-ethoxy-4-(methylamino)butanamide
CID 64974589
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
pentan-2-yl 4-(methylamino)butanoate
CID 102982621
[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 129310243

Frequently Asked Questions

What is the IUPAC name of [butanoyl(formyl)amino] 4-(methylamino)butanoate?
The IUPAC name of [butanoyl(formyl)amino] 4-(methylamino)butanoate (CID 155461543) is [butanoyl(formyl)amino] 4-(methylamino)butanoate.
What is the SMILES notation for [butanoyl(formyl)amino] 4-(methylamino)butanoate?
The canonical SMILES for [butanoyl(formyl)amino] 4-(methylamino)butanoate is CCCC(=O)N(C=O)OC(=O)CCCNC.
What is the InChIKey of [butanoyl(formyl)amino] 4-(methylamino)butanoate?
The InChIKey is RKRQAHCQCDEGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-5-9(14)12(8-13)16-10(15)6-4-7-11-2/h8,11H,3-7H2,1-2H3.
What are the key properties of [butanoyl(formyl)amino] 4-(methylamino)butanoate?
[butanoyl(formyl)amino] 4-(methylamino)butanoate has a molecular weight of 230.26 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(formyl)amino] 4-(methylamino)butanoate is sourced from PubChem (CID 155461543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).